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Molecule
Ethylcyclopentane
CAS: 1640-89-7 · C7H14
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1640-89-7
- Molecular Formula
- C7H14
- Molecular Mass
- 98.19 g/mol
Identifiers
CAS Registry Number
1640-89-7
SMILES
CCC1CCCC1
InChI Key
IFTRQJLVEBNKJK-UHFFFAOYSA-N
InChI
InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
Names and Synonyms
- Ethylcyclopentane Common Name
- Cyclopentane, ethyl- Synonym
- Ethylcyclopentane Synonym
- NSC 74149 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.19 g/mol | CAS Common Chemistry |
| 98.18900000000001 g/mol | RDKit | |
| 98.189 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7610 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 103.5 °C | CAS Common Chemistry |
| Canonical SMILES | CCC1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IFTRQJLVEBNKJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -138.4 °C | CAS Common Chemistry |
| Name | Ethylcyclopentane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5866000000000007 | RDKit |
| 2.5866 | RDKit | |
| 2.73 | chempirical lib | |
| Molar Refractivity | 32.24899999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 98.109550448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 98.19 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14.
